Search found 2 matches
- Wed Jul 05, 2017 6:36 am
- Forum: Bader
- Topic: BANDER charges in bulk gan
- Replies: 1
- Views: 14098
BANDER charges in bulk gan
Dear comunity, I am calculating bader charges from a cube file for hexagonal GaN bulk system. The Ga and N layers in this compound are in the form of : ABA'B'ABA'B'..... where the difference between A and A' layers is that they are slightly shifted laterally with respect to each other. Similarly, th...
- Wed Jul 05, 2017 6:31 am
- Forum: VTSTTools
- Topic: Number of images
- Replies: 1
- Views: 9924
Number of images
Dear vtst community, I am using vtsttools to investigate the migration of oxygen in cubic ZrO2 but just met some problems. I think I need your kind help I thought maybe one image was not enough (From my understanding it shouldn't be the reason but just try). I increased the number of images to three...